# AFLOW CIF FILE
# AFLOW.org Repositories
# ANRL - DUKE UNIVERSITY
# Part 1 (2017) doi: 10.1016/j.commatsci.2017.01.017
# Part 2 (2018) doi: 10.1016/j.commatsci.2018.10.043
# Part 3 (2021) doi: 10.1016/j.commatsci.2021.110450
# Part 4 (2024) doi: 10.1016/j.commatsci.2024.112988

# Chemical Composition:  AlPO4-35(A)

# The current version of this file is available at
# https://aflow.org/prototype-encyclopedia/A3BCD14E3_oP176_19_6a_2a_2a_28a_6a-001 

# Last updated on 2025/03/05

data_AlPO4-35(A)
_pd_phase_name AlPO4-35(A)
_cell_length_a  10.3212200000
_cell_length_b  13.6308100000
_cell_length_c  17.4538600000
_cell_angle_alpha  90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma  90.0000000000
_symmetry_space_group_name_H-M  'P2_{1}2_{1}2_{1}'
_symmetry_Int_Tables_Number  19
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  x,y,z
  2  -x+1/2,-y,z+1/2
  3  -x,y+1/2,-z+1/2
  4  x+1/2,-y+1/2,-z
loop_
 _atom_site_label
 _atom_site_occupancy
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_adp_type
 _atom_site_B_iso_or_equiv
 _atom_site_type_symbol
 _atom_site_symmetry_multiplicity
 _atom_site_Wyckoff_label
Al1 1.0000000000 0.1124000000 0.9905000000 0.9460000000  Biso 1.0 Al 4 a
Al2 1.0000000000 0.8750000000 0.8123000000 0.1446000000  Biso 1.0 Al 4 a
Al3 1.0000000000 0.1226000000 0.4884000000 0.0590000000  Biso 1.0 Al 4 a
Al4 1.0000000000 0.8804000000 0.3091000000 0.8580000000  Biso 1.0 Al 4 a
Al5 1.0000000000 0.9268000000 0.7311000000 0.9514000000  Biso 1.0 Al 4 a
Al6 1.0000000000 0.9210000000 0.2354000000 0.0511000000  Biso 1.0 Al 4 a
C7  1.0000000000 0.9121000000 0.5366000000 0.2338000000  Biso 1.0 C  4 a
C8  1.0000000000 0.3506000000 0.5317000000 0.2604000000  Biso 1.0 C  4 a
N9  1.0000000000 0.0457000000 0.5689000000 0.2542000000  Biso 1.0 N  4 a
N10 1.0000000000 0.4381000000 0.4467000000 0.2655000000  Biso 1.0 N  4 a
O11 1.0000000000 0.8514000000 0.2491000000 0.9560000000  Biso 1.0 O  4 a
O12 1.0000000000 0.8494000000 0.7656000000 0.0421000000  Biso 1.0 O  4 a
O13 1.0000000000 0.9414000000 0.1067000000 0.0646000000  Biso 1.0 O  4 a
O14 1.0000000000 0.9102000000 0.6021000000 0.9286000000  Biso 1.0 O  4 a
O15 1.0000000000 0.8696000000 0.4348000000 0.8842000000  Biso 1.0 O  4 a
O16 1.0000000000 0.8749000000 0.9373000000 0.1152000000  Biso 1.0 O  4 a
O17 1.0000000000 0.1273000000 0.6078000000 0.0976000000  Biso 1.0 O  4 a
O18 1.0000000000 0.0863000000 0.1051000000 0.9013000000  Biso 1.0 O  4 a
O19 1.0000000000 0.0864000000 0.2483000000 0.0029000000  Biso 1.0 O  4 a
O20 1.0000000000 0.9660000000 0.4661000000 0.0268000000  Biso 1.0 O  4 a
O21 1.0000000000 0.9946000000 0.2866000000 0.1359000000  Biso 1.0 O  4 a
O22 1.0000000000 0.9674000000 0.9566000000 0.9900000000  Biso 1.0 O  4 a
O23 1.0000000000 0.0440000000 0.7717000000 0.1486000000  Biso 1.0 O  4 a
O24 1.0000000000 0.2307000000 0.2390000000 0.1688000000  Biso 1.0 O  4 a
O25 1.0000000000 0.1777000000 0.4108000000 0.1322000000  Biso 1.0 O  4 a
O26 1.0000000000 0.9831000000 0.7730000000 0.8558000000  Biso 1.0 O  4 a
O27 1.0000000000 0.0876000000 0.7357000000 0.9998000000  Biso 1.0 O  4 a
O28 1.0000000000 0.0946000000 0.3485000000 0.2546000000  Biso 1.0 O  4 a
O29 1.0000000000 0.7355000000 0.0268000000 0.0144000000  Biso 1.0 O  4 a
O30 1.0000000000 0.2163000000 0.7365000000 0.8383000000  Biso 1.0 O  4 a
O31 1.0000000000 0.9102000000 0.3467000000 0.7561000000  Biso 1.0 O  4 a
O32 1.0000000000 0.2701000000 0.7347000000 0.0944000000  Biso 1.0 O  4 a
O33 1.0000000000 0.7596000000 0.2456000000 0.1026000000  Biso 1.0 O  4 a
O34 1.0000000000 0.0393000000 0.2626000000 0.8658000000  Biso 1.0 O  4 a
O35 1.0000000000 0.8490000000 0.4091000000 0.6274000000  Biso 1.0 O  4 a
O36 1.0000000000 0.7580000000 0.4987000000 0.4900000000  Biso 1.0 O  4 a
O37 1.0000000000 0.7788000000 0.3736000000 0.2476000000  Biso 1.0 O  4 a
O38 1.0000000000 0.7142000000 0.1702000000 0.2521000000  Biso 1.0 O  4 a
P39 1.0000000000 0.8718000000 0.0088000000 0.0463000000  Biso 1.0 P  4 a
P40 1.0000000000 0.1248000000 0.3179000000 0.1721000000  Biso 1.0 P  4 a
P41 1.0000000000 0.1135000000 0.8170000000 0.8271000000  Biso 1.0 P  4 a
P42 1.0000000000 0.8810000000 0.4973000000 0.9579000000  Biso 1.0 P  4 a
P43 1.0000000000 0.1237000000 0.7200000000 0.0851000000  Biso 1.0 P  4 a
P44 1.0000000000 0.1289000000 0.2104000000 0.9227000000  Biso 1.0 P  4 a
